SIMILAR PATTERNS OF AMINO ACIDS FOR 6EXI_D_ADND502_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II


(Saccharomyces
cerevisiae)
PF00150
(Cellulase)
5 THR A 204
ASP A 173
HIS A 268
ASN A 186
HIS A 175
None
None
None
GOL  A1450 (-3.4A)
GOL  A1450 (-4.4A)
1.34A 6exiD-1h4pA:
undetectable
6exiD-1h4pA:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n11 ANKYRIN

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
5 HIS A 673
GLN A 644
ASN A 665
LEU A 669
HIS A 640
None
1.39A 6exiD-1n11A:
undetectable
6exiD-1n11A:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE


(Escherichia
coli)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
5 THR A 119
HIS A 267
ASN A 178
LEU A 177
GLY A 111
None
None
None
None
KCX  A 198 ( 3.9A)
1.37A 6exiD-1uagA:
2.4
6exiD-1uagA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE


(Plasmodium
falciparum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 HIS A  54
THR A  56
ASP A 234
ASN A 391
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.0A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
0.40A 6exiD-1v8bA:
55.0
6exiD-1v8bA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE


(Thermotoga
maritima)
PF00294
(PfkB)
5 HIS A  -4
GLY A  46
HIS A  -1
MET A 292
PHE A 294
CA  A 344 (-3.3A)
None
None
None
None
1.26A 6exiD-2afbA:
5.0
6exiD-2afbA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5c PREPHENATE
DEHYDROGENASE


(Aquifex
aeolicus)
PF02153
(PDH)
5 THR A 120
LEU A 172
GLY A 146
MET A  96
PHE A  94
None
1.13A 6exiD-2g5cA:
8.1
6exiD-2g5cA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM


(Oryctolagus
cuniculus)
PF00343
(Phosphorylase)
5 THR A 671
THR A 668
ASN A 284
LEU A 380
HIS A 571
None
1.16A 6exiD-2gj4A:
3.7
6exiD-2gj4A:
7.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)


(Homo sapiens)
no annotation 5 ASP A 170
ASN A 361
LEU A 358
GLY A 404
MET A 167
None
1.04A 6exiD-2jdxA:
undetectable
6exiD-2jdxA:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE


(Medicago
truncatula)
PF00201
(UDPGT)
5 THR A 305
ASP A 402
ASN A 382
GLY A  20
PHE A 400
None
1.36A 6exiD-2pq6A:
3.7
6exiD-2pq6A:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
5 HIS A 511
ASP A 529
ASN A 460
GLY A 459
PHE A 508
EDO  A1872 (-4.6A)
None
None
None
None
1.38A 6exiD-2vmfA:
undetectable
6exiD-2vmfA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE


(Methanocaldococcus
jannaschii)
PF00814
(Peptidase_M22)
PF01163
(RIO1)
5 ASP A 284
HIS A  48
LEU A  83
GLY A  76
HIS A 106
ANP  A1531 (-2.7A)
None
None
None
ANP  A1531 (-3.4A)
1.43A 6exiD-2vwbA:
undetectable
6exiD-2vwbA:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9m POLYMERASE X

(Deinococcus
radiodurans)
PF14520
(HHH_5)
PF14716
(HHH_8)
5 THR A 361
ASP A 516
HIS A 428
GLY A 340
HIS A 518
None
ZN  A1566 (-2.5A)
ZN  A1567 (-3.4A)
None
ZN  A1565 (-3.3A)
1.11A 6exiD-2w9mA:
2.7
6exiD-2w9mA:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum)
PF00657
(Lipase_GDSL)
5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.23A 6exiD-2wabA:
2.2
6exiD-2wabA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum)
PF00657
(Lipase_GDSL)
5 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.34A 6exiD-2wabA:
2.2
6exiD-2wabA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsr CATECHOL 1,2
DIOXYGENASE


(Acinetobacter
radioresistens)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 ASP A 246
LEU A 207
GLY A 214
HIS A 213
PHE A 250
None
1.42A 6exiD-2xsrA:
undetectable
6exiD-2xsrA:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayf NITRIC OXIDE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00115
(COX1)
5 THR A  99
THR A 217
ASP A 500
GLY A  89
HIS A  90
None
1.32A 6exiD-3ayfA:
undetectable
6exiD-3ayfA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense)
PF00326
(Peptidase_S9)
5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
None
1.29A 6exiD-3azqA:
2.6
6exiD-3azqA:
8.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  69
THR A  71
GLN A  73
THR A  74
ASP A 252
ASN A 409
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
0.33A 6exiD-3ce6A:
55.9
6exiD-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 HIS A  69
THR A  71
GLN A  73
THR A  74
HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
1.06A 6exiD-3ce6A:
55.9
6exiD-3ce6A:
60.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus)
PF01979
(Amidohydro_1)
5 THR A 124
ASP A 305
HIS A 180
ASN A  95
HIS A  63
None
FLC  A 424 ( 2.7A)
FLC  A 424 (-4.0A)
FLC  A 424 (-3.6A)
ZN  A 423 ( 3.4A)
1.22A 6exiD-3d6nA:
undetectable
6exiD-3d6nA:
15.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
10 HIS A  52
THR A  54
GLN A  56
THR A  57
ASN A 345
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 (-3.1A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
0.25A 6exiD-3g1uA:
53.5
6exiD-3g1uA:
71.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
8 HIS A  52
THR A  54
GLN A  56
THR A  57
HIS A 300
LEU A 346
GLY A 351
PHE A 361
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
None
1.05A 6exiD-3g1uA:
53.5
6exiD-3g1uA:
71.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ggg PREPHENATE
DEHYDROGENASE


(Aquifex
aeolicus)
no annotation 5 THR D 120
LEU D 172
GLY D 145
MET D  96
PHE D  94
None
1.44A 6exiD-3gggD:
2.8
6exiD-3gggD:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ggg PREPHENATE
DEHYDROGENASE


(Aquifex
aeolicus)
no annotation 5 THR D 120
LEU D 172
GLY D 146
MET D  96
PHE D  94
None
1.05A 6exiD-3gggD:
2.8
6exiD-3gggD:
12.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 233
ASN A 387
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-2.5A)
NAD  A 601 (-3.0A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
0.33A 6exiD-3glqA:
59.2
6exiD-3glqA:
61.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 344
LEU A 388
GLY A 393
MET A 399
PHE A 403
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
1.05A 6exiD-3glqA:
59.2
6exiD-3glqA:
61.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE


(Trypanosoma
brucei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  52
THR A  54
GLN A  56
THR A  57
ASP A 189
ASN A 345
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-2.9A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
0.36A 6exiD-3h9uA:
55.8
6exiD-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE


(Trypanosoma
brucei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
8 HIS A  52
THR A  54
GLN A  56
THR A  57
HIS A 300
LEU A 346
GLY A 351
PHE A 361
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
None
1.08A 6exiD-3h9uA:
55.8
6exiD-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n58 ADENOSYLHOMOCYSTEINA
SE


(Brucella
abortus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  55
THR A  57
GLN A  59
THR A  60
ASP A 226
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
0.30A 6exiD-3n58A:
59.9
6exiD-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n58 ADENOSYLHOMOCYSTEINA
SE


(Brucella
abortus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
8 HIS A  55
THR A  57
GLN A  59
THR A  60
HIS A 337
LEU A 381
GLY A 386
PHE A 396
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
None
1.05A 6exiD-3n58A:
59.9
6exiD-3n58A:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 397
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
0.34A 6exiD-3oneA:
55.7
6exiD-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
8 HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 350
LEU A 398
GLY A 403
PHE A 413
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-4.9A)
1.07A 6exiD-3oneA:
55.7
6exiD-3oneA:
64.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t3o METAL DEPENDENT
HYDROLASE


(Thermus
thermophilus)
PF07521
(RMMBL)
PF12706
(Lactamase_B_2)
5 GLN A 404
ASP A 204
ASN A  24
GLY A  17
HIS A 398
None
None
ZN  A 600 ( 4.7A)
None
ZN  A 600 (-3.6A)
1.46A 6exiD-3t3oA:
3.2
6exiD-3t3oA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP


(Salmonella
enterica)
PF00814
(Peptidase_M22)
5 ASP B 300
HIS B  51
LEU B  88
GLY B  81
HIS B 111
ZN  B1339 ( 2.5A)
None
None
None
ZN  B1339 ( 3.2A)
1.34A 6exiD-3zeuB:
undetectable
6exiD-3zeuB:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1


(Mus musculus)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
5 ASP A 358
HIS A 242
GLY A 518
HIS A 517
MET A 408
ZN  A1001 (-2.1A)
None
None
ZN  A1001 ( 3.3A)
ZN  A1001 ( 4.9A)
1.46A 6exiD-4b56A:
undetectable
6exiD-4b56A:
7.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c25 L-FUCULOSE PHOSPHATE
ALDOLASE


(Streptococcus
pneumoniae)
PF00596
(Aldolase_II)
5 THR A  96
THR A  21
HIS A  78
GLY A 156
HIS A 155
None
None
None
None
ZN  A 301 ( 3.2A)
1.43A 6exiD-4c25A:
undetectable
6exiD-4c25A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX


(Bacillus cereus)
PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF)
5 THR A 439
THR A 379
ASP A 295
GLY A 437
HIS A 383
None
1.29A 6exiD-4fxqA:
undetectable
6exiD-4fxqA:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jde PROTEIN F15E11.13
PROTEIN F15E11.1


(Caenorhabditis
elegans;
Caenorhabditis
elegans)
no annotation
no annotation
5 THR A  23
GLY B 100
HIS A 102
MET A  80
PHE A  27
None
1.48A 6exiD-4jdeA:
undetectable
6exiD-4jdeA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus)
PF03328
(HpcH_HpaI)
5 GLN A 220
LEU A 223
GLY A 199
HIS A 200
PHE A 218
None
1.31A 6exiD-4l7zA:
undetectable
6exiD-4l7zA:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 231
ASN A 385
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
0.35A 6exiD-4lvcA:
63.1
6exiD-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 342
ASN A 385
LEU A 386
GLY A 391
PHE A 401
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-4.8A)
1.05A 6exiD-4lvcA:
63.1
6exiD-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mo9 PERIPLASMIC BINDING
PROTEIN


(Veillonella
parvula)
PF01497
(Peripla_BP_2)
5 ASP A  77
LEU A 314
GLY A 313
MET A  78
PHE A  82
None
1.32A 6exiD-4mo9A:
2.8
6exiD-4mo9A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF00171
(Aldedh)
5 THR A 285
ASN A 319
LEU A 478
GLY A 317
PHE A 212
None
1.06A 6exiD-4oe5A:
2.5
6exiD-4oe5A:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans)
PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat)
5 HIS A 347
THR A 300
THR A 351
HIS A 193
GLY A 304
MN  A1382 (-3.4A)
None
None
None
None
1.45A 6exiD-4v15A:
undetectable
6exiD-4v15A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvh CARBOHYDRATE
ESTERASE FAMILY 2
(CE2)


(Chaetomium)
PF13472
(Lipase_GDSL_2)
5 HIS A 335
THR A 334
GLY A 325
HIS A 329
MET A 281
None
None
None
PEU  A 402 ( 4.9A)
None
1.32A 6exiD-4xvhA:
2.1
6exiD-4xvhA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwt DR2417

(Deinococcus
radiodurans)
PF00753
(Lactamase_B)
PF07521
(RMMBL)
5 GLN A 409
ASP A 209
ASN A  33
GLY A  26
HIS A 403
None
None
ZN  A 602 ( 4.5A)
None
ZN  A 602 (-3.2A)
1.40A 6exiD-4xwtA:
undetectable
6exiD-4xwtA:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
5 GLN A  72
THR A  71
HIS A 328
ASN A 159
GLY A  87
None
1.37A 6exiD-5dmyA:
2.4
6exiD-5dmyA:
6.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h83 HETEROYOHIMBINE
SYNTHASE HYS


(Catharanthus
roseus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 HIS A 127
ASP A  54
GLY A  99
HIS A  73
PHE A  69
None
None
None
ZN  A 901 (-3.1A)
None
1.28A 6exiD-5h83A:
8.2
6exiD-5h83A:
10.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3a TYROSINASE

(Bacillus
megaterium)
PF00264
(Tyrosinase)
5 GLN A 193
HIS A  69
ASN A 205
GLY A 196
PHE A 190
None
ZN  A 302 ( 4.9A)
HQE  A 303 (-3.4A)
None
None
1.32A 6exiD-5i3aA:
undetectable
6exiD-5i3aA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3a TYROSINASE

(Bacillus
megaterium)
PF00264
(Tyrosinase)
5 GLN A 193
HIS A 231
ASN A 205
GLY A 196
PHE A 190
None
ZN  A 302 (-3.1A)
HQE  A 303 (-3.4A)
None
None
1.21A 6exiD-5i3aA:
undetectable
6exiD-5i3aA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ASN A  64
LEU A  62
GLY A  65
HIS A  66
PHE A  90
None
None
None
TPP  A 701 ( 3.5A)
None
1.28A 6exiD-5i51A:
undetectable
6exiD-5i51A:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN


(Methanocaldococcus
jannaschii)
PF00814
(Peptidase_M22)
5 ASP A 284
HIS A  48
LEU A  83
GLY A  76
HIS A 106
MG  A 402 ( 2.7A)
None
None
None
MG  A 402 (-3.7A)
1.43A 6exiD-5jmvA:
undetectable
6exiD-5jmvA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Sus scrofa)
PF00149
(Metallophos)
5 HIS A 195
THR A 198
ASP A  14
ASN A  91
HIS A 186
PO4  A 404 (-3.8A)
None
FE  A 402 ( 3.1A)
PO4  A 404 ( 2.6A)
FE  A 403 ( 3.4A)
1.31A 6exiD-5uq6A:
undetectable
6exiD-5uq6A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Sus scrofa)
PF00149
(Metallophos)
5 HIS A 195
THR A 198
HIS A 223
ASN A  91
HIS A 186
PO4  A 404 (-3.8A)
None
FE  A 402 (-3.4A)
PO4  A 404 ( 2.6A)
FE  A 403 ( 3.4A)
1.43A 6exiD-5uq6A:
undetectable
6exiD-5uq6A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE


(Cryptosporidium
parvum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
10 HIS A  53
THR A  55
THR A  58
ASP A 245
ASN A 403
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-4.2A)
SAH  A 502 (-2.8A)
NAD  A 501 (-2.9A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
0.40A 6exiD-5utuA:
52.9
6exiD-5utuA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)


(Paraburkholderia
xenovorans)
PF00982
(Glyco_transf_20)
5 ASP A 140
HIS A  99
ASN A  91
HIS A 142
PHE A 161
G6P  A 502 (-3.3A)
None
G6P  A 502 ( 4.6A)
G6P  A 502 (-4.7A)
None
1.50A 6exiD-5v0tA:
3.2
6exiD-5v0tA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE


(Naegleria
fowleri)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
10 HIS A  59
THR A  61
THR A  64
ASP A 231
ASN A 388
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.1A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
0.35A 6exiD-5v96A:
57.4
6exiD-5v96A:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ASN A  61
LEU A  59
GLY A  62
HIS A  63
PHE A  87
OCS  A 154 ( 4.3A)
None
None
CA  A 704 ( 4.9A)
None
1.29A 6exiD-5vrbA:
undetectable
6exiD-5vrbA:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ASN A 346
LEU A 347
GLY A 352
HIS A 353
MET A 358
NAD  A 501 (-3.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
0.48A 6exiD-5w4bA:
49.1
6exiD-5w4bA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ASP A 190
ASN A 346
LEU A 347
GLY A 352
HIS A 353
NAD  A 501 (-4.1A)
NAD  A 501 (-3.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
0.49A 6exiD-5w4bA:
49.1
6exiD-5w4bA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  55
THR A  57
THR A  60
ASP A 190
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.1A)
None
0.62A 6exiD-5w4bA:
49.1
6exiD-5w4bA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  55
THR A  57
THR A  60
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
9W4  A 502 (-3.6A)
None
0.23A 6exiD-5w4bA:
49.1
6exiD-5w4bA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 THR A  57
ASN A 346
LEU A 347
GLY A 352
HIS A 353
9W4  A 502 (-2.9A)
NAD  A 501 (-3.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
0.82A 6exiD-5w4bA:
49.1
6exiD-5w4bA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvs ALCOHOL
DEHYDROGENASE


(candidate
divison MSBL1
archaeon
SCGC-AAA259E19)
no annotation 5 THR A 147
ASP A 102
HIS A 288
ASN A 264
GLY A 261
None
NDP  A 502 (-2.6A)
NDP  A 502 ( 3.0A)
NDP  A 502 ( 4.9A)
None
1.41A 6exiD-5yvsA:
2.0
6exiD-5yvsA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus)
no annotation 5 GLN A 158
ASP A  42
LEU A 371
HIS A 144
PHE A   1
None
1.22A 6exiD-5ywpA:
undetectable
6exiD-5ywpA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
11 HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 195
ASN A 351
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.7A)
NAD  A 500 (-3.1A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
0.30A 6exiD-6aphA:
56.3
6exiD-6aphA:
69.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
8 HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 306
LEU A 352
GLY A 357
PHE A 367
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
None
1.04A 6exiD-6aphA:
56.3
6exiD-6aphA:
69.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-)
no annotation 11 HIS B  61
THR B  63
GLN B  65
THR B  66
ASP B 198
ASN B 375
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-2.7A)
NAD  B 501 (-3.0A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
0.34A 6exiD-6f3mB:
51.7
6exiD-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-)
no annotation 10 HIS B  61
THR B  63
GLN B  65
THR B  66
HIS B 323
ASN B 375
LEU B 376
GLY B 381
MET B 387
PHE B 391
ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ZN  B 505 (-3.2A)
NAD  B 501 (-3.0A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
1.01A 6exiD-6f3mB:
51.7
6exiD-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g74 QUINOLINATE SYNTHASE
A


(Thermotoga
maritima)
no annotation 5 HIS A 193
ASN A  20
GLY A  34
HIS A  19
MET A  59
PHT  A 302 (-3.8A)
None
None
PHT  A 302 (-4.0A)
PHT  A 302 ( 4.9A)
1.28A 6exiD-6g74A:
undetectable
6exiD-6g74A:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-)
no annotation 11 HIS A  56
THR A  58
GLN A  60
THR A  61
ASP A 193
ASN A 349
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
0.28A 6exiD-6gbnA:
56.5
6exiD-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-)
no annotation 8 HIS A  56
THR A  58
GLN A  60
THR A  61
HIS A 304
LEU A 350
GLY A 355
PHE A 365
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 ( 3.6A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
None
1.04A 6exiD-6gbnA:
56.5
6exiD-6gbnA:
undetectable